1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one

C17H16ClNO3S — CID 71729835

IUPAC1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C17H16ClNO3S/c18-14-6-8-16(9-7-14)23(21,22)19-11-10-15(20)12-17(19)13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyZEIKPJFRMQZAIL-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.43
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one

1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one (PubChem CID 71729835) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one
PubChem CID71729835
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)C1
InChIInChI=1S/C17H16ClNO3S/c18-14-6-8-16(9-7-14)23(21,22)19-11-10-15(20)12-17(19)13-4-2-1-3-5-13/h1-9,17H,10-12H2
InChIKeyZEIKPJFRMQZAIL-UHFFFAOYSA-N
XLogP3.43
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one (CID 71729835) is 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2ccc(Cl)cc2)C(c2ccccc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one?
The InChIKey is ZEIKPJFRMQZAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c18-14-6-8-16(9-7-14)23(21,22)19-11-10-15(20)12-17(19)13-4-2-1-3-5-13/h1-9,17H,10-12H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one?
1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one has a molecular weight of 349.84 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-phenylpiperidin-4-one is sourced from PubChem (CID 71729835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).